A1331/0060187
TL;DR: A1331/0060187 (CAS 328068-32-2) is a chemical compound with molecular formula C23H14Cl2N2S2 and molecular weight 452.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: A1331/0060187, 2-[(2-chlorobenzyl)thio]-4-(4-chlorophenyl)-6-(2-thienyl)nicotinonitrile, 2-((2-chlorobenzyl)thio)-4-(4-chlorophenyl)-6-(thiophen-2-yl)nicotinonitrile, 2-[(2-chlorobenzyl)sulfanyl]-4-(4-chlorophenyl)-6-(thiophen-2-yl)pyridine-3-carbonitrile, 4-(4-chlorophenyl)-2-[(2-chlorophenyl)methylthio]-6-(2-thienyl)pyridine-3-carb onitrile
| Molecular Formula | C23H14Cl2N2S2 |
|---|---|
| Molecular Weight | 452.00 g/mol |
| LogP | 7.94788 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.99756 |
| Heavy Atoms | 29 |
| Complexity | 1180.731 |
Chemical Identifiers
| CAS Number | 328068-32-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)Cl)C#N)Cl |
Product Overview
A1331/0060187 (CAS 328068-32-2), with molecular formula C23H14Cl2N2S2 and molecular weight 452.00 g/mol. IUPAC: 4-(4-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of A1331/0060187
Property Insights of A1331/0060187
The XLogP value of 7.94788 indicates that A1331/0060187 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, A1331/0060187 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1331/0060187 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1331/0060187?
The CAS number of A1331/0060187 is 328068-32-2.
What is the molecular formula of A1331/0060187?
The molecular formula of A1331/0060187 is C23H14Cl2N2S2.
What is the molecular weight of A1331/0060187?
The molecular weight of A1331/0060187 is 452.00 g/mol.
Where can I buy A1331/0060187?
You can request a quote for A1331/0060187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1331/0060187?
Yes, KEHONG BIO provides custom synthesis services for A1331/0060187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.